SCHEMBL17862091

SCHEMBL17862091

CCC(C)C(C(=O)OC)C(C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 2/20 0.35
CA14 Q9ULX7 1/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MAPT P10636 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ABCB1 P08183 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16486923 0.89 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL12875894 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL5520671 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL12875891 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL17000158 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL15041053 0.84 CA1 (0.43) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL11041537 0.84 CA1 (0.43) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL12890253 0.84 CA1 (0.43) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL8223673 0.84 CA1 (0.43) SMN1; SMN2CA1CA2POLBCA14
SCHEMBL15041052 0.84 CA1 (0.43) SMN1; SMN2CA1CA2POLBCA14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175492-A1 MEDICAL DEVICE AND METHOD FOR PRODUCING SAME TERUMO KABUSHIKI KAISHA (JP) 2016-06-23 US disclosed